On Wed, 24 Aug 2011 12:25:51 -0400 "Juliette N." <joojoojo...@gmail.com> wrote: > Dear all, > > Sorry if my question sounds irrelevant but I am wondering to know if > in gromacs there is any tool for studying properties like sound > wave/acoustic wave (An acoustic wave is a pressure oscillation that > travels through liquid, in a wave pattern)? > > I dont see such a tool in the manual but I thought maybe someone has > an idea how to indirectly extract these information. Please let me > know your ideas.
Given that pressure is a bit badly defined in MD simulations, I'd be somewhat skeptical about this. Not to mention the time scales - in order to simulate a sound wave say, at 44 kHz, you'd need to get at least two periods in your simulations, i.e. 45 microseconds, which is a *long* time on the nuclear / MD timescale. -- -------------------------------------------------------- Mr. Jussi Lehtola, M. Sc. Doctoral Student jussi.leht...@helsinki.fi Department of Physics http://www.helsinki.fi/~jzlehtol University of Helsinki Office phone: +358 9 191 50 632 Finland -------------------------------------------------------- Jussi Lehtola, FM Tohtorikoulutettava jussi.leht...@helsinki.fi Fysiikan laitos http://www.helsinki.fi/~jzlehtol Helsingin Yliopisto Työpuhelin: (0)9 191 50 632 -------------------------------------------------------- -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
